methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride

C19H25ClN4O2 — CID 162308852

IUPACmethyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-22-17(19(10-11-19)15-6-4-3-5-7-15)20-21-18(22)23-12-8-14(9-13-23)16(24)25-2;/h3-7,14H,8-13H2,1-2H3;1H
InChIKeyCPFWKRDIXXEQDH-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.71
Rot. Bonds4

About methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride

methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride (PubChem CID 162308852) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride
PubChem CID162308852
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Namemethyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-22-17(19(10-11-19)15-6-4-3-5-7-15)20-21-18(22)23-12-8-14(9-13-23)16(24)25-2;/h3-7,14H,8-13H2,1-2H3;1H
InChIKeyCPFWKRDIXXEQDH-UHFFFAOYSA-N
XLogP2.71
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride with MolForge

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Related Compounds

4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine
CID 59216026
1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine
CID 59216048
methyl 1-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]piperidine-4-carboxylate
CID 59216060
tert-butyl N-methyl-N-[1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-yl]carbamate
CID 59216150
1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride
CID 162332726
3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine
CID 59216113
methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate
CID 78968034
1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 143046728
methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate
CID 103204947
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride (CID 162308852) is methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride is COC(=O)C1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1.Cl.
What is the InChIKey of methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride?
The InChIKey is CPFWKRDIXXEQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c1-22-17(19(10-11-19)15-6-4-3-5-7-15)20-21-18(22)23-12-8-14(9-13-23)16(24)25-2;/h3-7,14H,8-13H2,1-2H3;1H.
What are the key properties of methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride?
methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 162308852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).